3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide

C13H11BrF2N2O2S — CID 107343733

IUPAC3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(F)c(N)c2F)c1Br
InChIInChI=1S/C13H11BrF2N2O2S/c1-7-3-2-4-9(11(7)14)18-21(19,20)10-6-5-8(15)13(17)12(10)16/h2-6,18H,17H2,1H3
InChIKeyMATWFKFSFWGXRH-UHFFFAOYSA-N
MW377.21 g/mol
LogP3.42
Rot. Bonds3

About 3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide

3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide (PubChem CID 107343733) has the molecular formula C13H11BrF2N2O2S and a molecular weight of 377.21 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide
PubChem CID107343733
Molecular FormulaC13H11BrF2N2O2S
Molecular Weight377.21 g/mol
Exact Mass375.97
IUPAC Name3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(F)c(N)c2F)c1Br
InChIInChI=1S/C13H11BrF2N2O2S/c1-7-3-2-4-9(11(7)14)18-21(19,20)10-6-5-8(15)13(17)12(10)16/h2-6,18H,17H2,1H3
InChIKeyMATWFKFSFWGXRH-UHFFFAOYSA-N
XLogP3.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-bromo-3-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171680
2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 62057436
N-(3-amino-2,4-difluorophenyl)-3-fluoro-2,4-dimethylbenzenesulfonamide
CID 171763125
N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327344
3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide
CID 107343077
5-bromo-N-(2,3-difluorophenyl)-2-methylbenzenesulfonamide
CID 47336995
3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 107343056
3-amino-2,4-difluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584491
5-amino-N-(3-bromo-2-methylphenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 107624447
N-(2,3-dimethylphenyl)-4-fluoronaphthalene-1-sulfonamide
CID 86061932
5-amino-N-(3-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 107624395
3-amino-2,4-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 107343103

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide (CID 107343733) is 3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(F)c(N)c2F)c1Br.
What is the InChIKey of 3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is MATWFKFSFWGXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2O2S/c1-7-3-2-4-9(11(7)14)18-21(19,20)10-6-5-8(15)13(17)12(10)16/h2-6,18H,17H2,1H3.
What are the key properties of 3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide?
3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 377.21 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 107343733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).